Citric Acid

Citric Acid

SCHEMBL4564858

O=C(O)CC(O)(CC(=O)O)C(=O)O.[Na+].[Na+].[Na+].[O-]B([O-])[O-]

nearest known ligand 0.75

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Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

The experimentally established mechanism targets of Citric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.75
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
TSHR P16473 2/20 0.39
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ACLY P53396 4/20 0.38
SLC13A5 Q86YT5 4/20 0.38
CA4 P22748 1/20 0.37
CPT2 P23786 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Citric Acid SCHEMBL28043110 0.95 ALDH1A1 (0.75) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL31588819 0.93 ALDH1A1 (0.71) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL435021 0.91 ALDH1A1 (0.62) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL7028347 0.91 ALDH1A1 (0.68) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL15847110 0.89 ALDH1A1 (0.60) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL10407698 0.89 ALDH1A1 (0.94) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL29395328 0.89 ALDH1A1 (0.94) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL735448 0.87 ALDH1A1 (0.79) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL28432786 0.87 ALDH1A1 (0.79) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL26949 0.87 ALDH1A1 (0.79) ALDH1A1HMGCRCHRM1TBXA2RADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156482-A1 EXTERNAL PREPARATION, METHOD OF PRODUCING THE SAME AND USAGE FOR THE SAME GENESCIENCE PHARMACEUTICALS CO., LTD. (CN) 2009-06-18 US claimed
EP-0844003-A1 REMEDY FOR COXSACKIE VIRUS B INFECTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-27 EP disclosed